[(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate

C26H31ClN6O4S — CID 70376041

IUPAC[(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate
SMILESCN1CCc2nc(C(=O)N[C@@H]3CC(COC(=O)N(C)C)CC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C26H31ClN6O4S/c1-32(2)26(36)37-13-14-8-19(29-23(34)21-11-15-10-16(27)4-5-17(15)28-21)20(9-14)30-24(35)25-31-18-6-7-33(3)12-22(18)38-25/h4-5,10-11,14,19-20,28H,6-9,12-13H2,1-3H3,(H,29,34)(H,30,35)/t14?,19?,20-/m1/s1
InChIKeyIIPYDCJWVDUTRJ-OJISFJIHSA-N
MW559.09 g/mol
LogP3.27
Rot. Bonds6

About [(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate

[(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate (PubChem CID 70376041) has the molecular formula C26H31ClN6O4S and a molecular weight of 559.09 g/mol. Its IUPAC name is [(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate
PubChem CID70376041
Molecular FormulaC26H31ClN6O4S
Molecular Weight559.09 g/mol
Exact Mass558.18
IUPAC Name[(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate
SMILESCN1CCc2nc(C(=O)N[C@@H]3CC(COC(=O)N(C)C)CC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C26H31ClN6O4S/c1-32(2)26(36)37-13-14-8-19(29-23(34)21-11-15-10-16(27)4-5-17(15)28-21)20(9-14)30-24(35)25-31-18-6-7-33(3)12-22(18)38-25/h4-5,10-11,14,19-20,28H,6-9,12-13H2,1-3H3,(H,29,34)(H,30,35)/t14?,19?,20-/m1/s1
InChIKeyIIPYDCJWVDUTRJ-OJISFJIHSA-N
XLogP3.27
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.09
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate with MolForge

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Related Compounds

N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylcarbamoyl)cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 70376085
N-[(1S,2R,4R,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4,5-dihydroxycyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66786617
N-[5-amino-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 68548371
3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 68909554
N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59677026
[(1S)-2-acetyloxy-5-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl] acetate
CID 70376079
ethyl 3-[(3R,4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pyrrolidin-1-yl]-3-oxopropanoate
CID 59677085
N-[(1S,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59284703
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822130
N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-[2-methoxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 77218810
N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]oxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59677067
N-[(1S,2R,5R)-5-carbamoyl-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 68907650

Frequently Asked Questions

What is the IUPAC name of [(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate?
The IUPAC name of [(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate (CID 70376041) is [(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate is CN1CCc2nc(C(=O)N[C@@H]3CC(COC(=O)N(C)C)CC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.
What is the InChIKey of [(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate?
The InChIKey is IIPYDCJWVDUTRJ-OJISFJIHSA-N. The full InChI is InChI=1S/C26H31ClN6O4S/c1-32(2)26(36)37-13-14-8-19(29-23(34)21-11-15-10-16(27)4-5-17(15)28-21)20(9-14)30-24(35)25-31-18-6-7-33(3)12-22(18)38-25/h4-5,10-11,14,19-20,28H,6-9,12-13H2,1-3H3,(H,29,34)(H,30,35)/t14?,19?,20-/m1/s1.
What are the key properties of [(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate?
[(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate has a molecular weight of 559.09 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentyl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 70376041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).